Task 38675402

Name test_464-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5424_0
Workunit 31617375
Created 26 Oct 2026, 8:10:20 UTC
Sent 26 Oct 2026, 8:10:24 UTC
Report deadline 31 Oct 2026, 8:10:24 UTC
Received 26 Oct 2026, 8:43:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580951
Run time 30 min 27 sec
CPU time 28 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,926.93 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.56 MB
Peak swap size 3.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
09:12:22 (13484): wrapper (7.9.26016): starting
09:12:22 (13484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
09:12:24 (13484): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:12:24 (13484): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:41:26 (13484): C:/Windows/system32/cmd.exe exited; CPU time 1710.031250
09:41:26 (13484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 26778093 bytes.
Dumping objects ->
{3835287} normal block at 0x000001FC9BCE0840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835276} normal block at 0x000001FC9BCE16B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001FC9BCE0920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835254} normal block at 0x000001FC9BCE0DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x000001FC9BCE0D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835212} normal block at 0x000001FC9BD8CB70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001FC9BCEE240, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835198} normal block at 0x000001FC9A367EE0, 8 bytes long.
 Data: <  .&#154;&#252;   > 00 00 2E 9A FC 01 00 00 
{3834558} normal block at 0x000001FC9BCEE170, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001FC9A367C60, 8 bytes long.
 Data: <  &#231;&#155;&#252;   > 00 88 E7 9B FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001FC9A3714B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FC9A35AEE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001FC9A3724A0, 16 bytes long.
 Data: <&#232;:7&#154;&#252;           > E8 3A 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FC9A3732B0, 16 bytes long.
 Data: <&#192;:7&#154;&#252;           > C0 3A 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FC9A36DF90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001FC9A372590, 16 bytes long.
 Data: < :7&#154;&#252;           > 98 3A 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FC9A372B80, 16 bytes long.
 Data: <p:7&#154;&#252;           > 70 3A 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FC9A372720, 16 bytes long.
 Data: <H:7&#154;&#252;           > 48 3A 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FC9A3729F0, 16 bytes long.
 Data: < :7&#154;&#252;           > 20 3A 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FC9A36C740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001FC9A373120, 16 bytes long.
 Data: <h&#216;6&#154;&#252;           > 68 D8 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FC9A36DF30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001FC9A372C70, 16 bytes long.
 Data: <@&#216;6&#154;&#252;           > 40 D8 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FC9A372400, 16 bytes long.
 Data: < &#216;6&#154;&#252;           > 18 D8 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FC9A3730D0, 16 bytes long.
 Data: <&#240;&#215;6&#154;&#252;           > F0 D7 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FC9A373210, 16 bytes long.
 Data: <&#200;&#215;6&#154;&#252;           > C8 D7 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FC9A372DB0, 16 bytes long.
 Data: <&#160;&#215;6&#154;&#252;           > A0 D7 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FC9A373080, 16 bytes long.
 Data: <x&#215;6&#154;&#252;           > 78 D7 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FC9A36E290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001FC9A372FE0, 16 bytes long.
 Data: <P&#215;6&#154;&#252;           > 50 D7 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FC9A36D750, 320 bytes long.
 Data: <&#224;/7&#154;&#252;    &#226;6&#154;&#252;   > E0 2F 37 9A FC 01 00 00 90 E2 36 9A FC 01 00 00 
{270} normal block at 0x000001FC9A373170, 16 bytes long.
 Data: < :7&#154;&#252;           > 00 3A 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FC9A373260, 16 bytes long.
 Data: <&#216;97&#154;&#252;           > D8 39 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FC9A36E6B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001FC9A372900, 16 bytes long.
 Data: <&#176;97&#154;&#252;           > B0 39 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FC9A36DBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001FC9A372630, 16 bytes long.
 Data: <&#248;87&#154;&#252;           > F8 38 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FC9A3728B0, 16 bytes long.
 Data: <&#208;87&#154;&#252;           > D0 38 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FC9A3729A0, 16 bytes long.
 Data: <&#168;87&#154;&#252;           > A8 38 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FC9A372540, 16 bytes long.
 Data: < 87&#154;&#252;           > 80 38 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FC9A372950, 16 bytes long.
 Data: <X87&#154;&#252;           > 58 38 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FC9A372860, 16 bytes long.
 Data: <087&#154;&#252;           > 30 38 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FC9A3726D0, 16 bytes long.
 Data: < &#200;6&#154;&#252;           > 90 C8 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FC9A36C890, 40 bytes long.
 Data: <&#208;&7&#154;&#252;   p&#203;&#216;&#155;&#252;   > D0 26 37 9A FC 01 00 00 70 CB D8 9B FC 01 00 00 
{256} normal block at 0x000001FC9A372810, 16 bytes long.
 Data: < 87&#154;&#252;           > 10 38 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FC9A372F90, 16 bytes long.
 Data: <&#232;77&#154;&#252;           > E8 37 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FC9A36DB70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001FC9A3724F0, 16 bytes long.
 Data: <&#192;77&#154;&#252;           > C0 37 37 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001FC9A3737C0, 992 bytes long.
 Data: <&#240;$7&#154;&#252;   p&#219;6&#154;&#252;   > F0 24 37 9A FC 01 00 00 70 DB 36 9A FC 01 00 00 
{88} normal block at 0x000001FC9A36E5F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001FC9A367E40, 16 bytes long.
 Data: <&#160;&#203;6&#154;&#252;           > A0 CB 36 9A FC 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001FC9A36CBA0, 40 bytes long.
 Data: <@~6&#154;&#252;   &#240;&#229;6&#154;&#252;   > 40 7E 36 9A FC 01 00 00 F0 E5 36 9A FC 01 00 00 
{65} normal block at 0x000001FC9A367C10, 16 bytes long.
 Data: < &#234;&#149;L&#246;           > 80 EA 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FC9A3682A0, 16 bytes long.
 Data: <@&#233;&#149;L&#246;           > 40 E9 95 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FC9A367D50, 16 bytes long.
 Data: <&#248;W&#146;L&#246;           > F8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FC9A3678F0, 16 bytes long.
 Data: <&#216;W&#146;L&#246;           > D8 57 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FC9A367850, 16 bytes long.
 Data: <P &#146;L&#246;           > 50 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FC9A367DF0, 16 bytes long.
 Data: <0 &#146;L&#246;           > 30 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FC9A3685C0, 16 bytes long.
 Data: <&#224; &#146;L&#246;           > E0 02 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FC9A367AD0, 16 bytes long.
 Data: <  &#146;L&#246;           > 10 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FC9A367A80, 16 bytes long.
 Data: <p &#146;L&#246;           > 70 04 92 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FC9A368570, 16 bytes long.
 Data: < &#192; L&#246;           > 18 C0 90 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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